N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0344 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 401.91 |
| Molecular Formula: | C20 H20 Cl N3 O2 S |
| Smiles: | CCCN1C(c2ccc(cc2NC1=S)C(NCCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7915 |
| logD: | 3.7888 |
| logSw: | -4.414 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.823 |
| InChI Key: | MIQSLBMBZONCCX-UHFFFAOYSA-N |